(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine

C13H16F3N — CID 28501633

IUPAC(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
SMILESN[C@H](c1c(F)cc(F)cc1F)C1CCCCC1
InChIInChI=1S/C13H16F3N/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h6-8,13H,1-5,17H2/t13-/m0/s1
InChIKeyRJYOUGKLOINXDK-ZDUSSCGKSA-N
MW243.27 g/mol
LogP3.68
Rot. Bonds2

About (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine

(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine (PubChem CID 28501633) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
PubChem CID28501633
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
SMILESN[C@H](c1c(F)cc(F)cc1F)C1CCCCC1
InChIInChI=1S/C13H16F3N/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h6-8,13H,1-5,17H2/t13-/m0/s1
InChIKeyRJYOUGKLOINXDK-ZDUSSCGKSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine
CID 171224857
(R)-piperidin-4-yl-(2,4,6-trifluorophenyl)methanamine;hydrochloride
CID 171314352
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 43104806
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
2-[(R)-amino(cyclohexyl)methyl]-3,4,5-trifluorophenol;hydrochloride
CID 171257718

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine (CID 28501633) is (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine is N[C@H](c1c(F)cc(F)cc1F)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is RJYOUGKLOINXDK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16F3N/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h6-8,13H,1-5,17H2/t13-/m0/s1.
What are the key properties of (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine?
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 243.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 28501633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).